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Title: Materials Data on CsReO4 by Materials Project

Abstract

CsReO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.39 Å. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.75 Å) and three longer (1.76 Å) Re–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one Re7+ atom.

Authors:
Publication Date:
Other Number(s):
mp-17621
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsReO4; Cs-O-Re
OSTI Identifier:
1192596
DOI:
https://doi.org/10.17188/1192596

Citation Formats

The Materials Project. Materials Data on CsReO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192596.
The Materials Project. Materials Data on CsReO4 by Materials Project. United States. doi:https://doi.org/10.17188/1192596
The Materials Project. 2020. "Materials Data on CsReO4 by Materials Project". United States. doi:https://doi.org/10.17188/1192596. https://www.osti.gov/servlets/purl/1192596. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1192596,
title = {Materials Data on CsReO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsReO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.39 Å. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.75 Å) and three longer (1.76 Å) Re–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one Re7+ atom.},
doi = {10.17188/1192596},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}